[1-(4,5-dichloro-1-methyl-6-oxopyrimidin-2-yl)-4-methylpiperidin-4-yl]methyl carbamate

C13H18Cl2N4O3 — CID 175095500

IUPAC[1-(4,5-dichloro-1-methyl-6-oxopyrimidin-2-yl)-4-methylpiperidin-4-yl]methyl carbamate
SMILESCn1c(N2CCC(C)(COC(N)=O)CC2)nc(Cl)c(Cl)c1=O
InChIInChI=1S/C13H18Cl2N4O3/c1-13(7-22-11(16)21)3-5-19(6-4-13)12-17-9(15)8(14)10(20)18(12)2/h3-7H2,1-2H3,(H2,16,21)
InChIKeyWIZISXRIBQFJLE-UHFFFAOYSA-N
MW349.22 g/mol
LogP1.79
Rot. Bonds3

About [1-(4,5-dichloro-1-methyl-6-oxopyrimidin-2-yl)-4-methylpiperidin-4-yl]methyl carbamate

[1-(4,5-dichloro-1-methyl-6-oxopyrimidin-2-yl)-4-methylpiperidin-4-yl]methyl carbamate (PubChem CID 175095500) has the molecular formula C13H18Cl2N4O3 and a molecular weight of 349.22 g/mol. Its IUPAC name is [1-(4,5-dichloro-1-methyl-6-oxopyrimidin-2-yl)-4-methylpiperidin-4-yl]methyl carbamate.

Molecular Properties

Compound Name[1-(4,5-dichloro-1-methyl-6-oxopyrimidin-2-yl)-4-methylpiperidin-4-yl]methyl carbamate
PubChem CID175095500
Molecular FormulaC13H18Cl2N4O3
Molecular Weight349.22 g/mol
Exact Mass348.08
IUPAC Name[1-(4,5-dichloro-1-methyl-6-oxopyrimidin-2-yl)-4-methylpiperidin-4-yl]methyl carbamate
SMILESCn1c(N2CCC(C)(COC(N)=O)CC2)nc(Cl)c(Cl)c1=O
InChIInChI=1S/C13H18Cl2N4O3/c1-13(7-22-11(16)21)3-5-19(6-4-13)12-17-9(15)8(14)10(20)18(12)2/h3-7H2,1-2H3,(H2,16,21)
InChIKeyWIZISXRIBQFJLE-UHFFFAOYSA-N
XLogP1.79
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(4,5-dichloro-1-methyl-6-oxopyrimidin-2-yl)-4-methylpiperidin-4-yl]methyl carbamate?
The IUPAC name of [1-(4,5-dichloro-1-methyl-6-oxopyrimidin-2-yl)-4-methylpiperidin-4-yl]methyl carbamate (CID 175095500) is [1-(4,5-dichloro-1-methyl-6-oxopyrimidin-2-yl)-4-methylpiperidin-4-yl]methyl carbamate.
What is the SMILES notation for [1-(4,5-dichloro-1-methyl-6-oxopyrimidin-2-yl)-4-methylpiperidin-4-yl]methyl carbamate?
The canonical SMILES for [1-(4,5-dichloro-1-methyl-6-oxopyrimidin-2-yl)-4-methylpiperidin-4-yl]methyl carbamate is Cn1c(N2CCC(C)(COC(N)=O)CC2)nc(Cl)c(Cl)c1=O.
What is the InChIKey of [1-(4,5-dichloro-1-methyl-6-oxopyrimidin-2-yl)-4-methylpiperidin-4-yl]methyl carbamate?
The InChIKey is WIZISXRIBQFJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N4O3/c1-13(7-22-11(16)21)3-5-19(6-4-13)12-17-9(15)8(14)10(20)18(12)2/h3-7H2,1-2H3,(H2,16,21).
What are the key properties of [1-(4,5-dichloro-1-methyl-6-oxopyrimidin-2-yl)-4-methylpiperidin-4-yl]methyl carbamate?
[1-(4,5-dichloro-1-methyl-6-oxopyrimidin-2-yl)-4-methylpiperidin-4-yl]methyl carbamate has a molecular weight of 349.22 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4,5-dichloro-1-methyl-6-oxopyrimidin-2-yl)-4-methylpiperidin-4-yl]methyl carbamate is sourced from PubChem (CID 175095500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).